2-[2-(4-nitrophenyl)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(4-nitrophenyl)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-[2-(4-nitrophenyl)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y204-1117 |
| Compound Name: | 2-[2-(4-nitrophenyl)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | C1CCCc2c(CC1)c(C(N)=O)c(NC(Cc1ccc(cc1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.7738 |
| logD: | 2.0129 |
| logSw: | -3.3537 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.603 |
| InChI Key: | ICZODYIZMUXPDH-UHFFFAOYSA-N |